8-acetamido-2-ethyl-N-oxidanyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide

Systemtic Name: 8-acetamido-2-ethyl-N-oxidanyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: N-[2-ethyl-7-(hydroxycarbamoyl)-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl]acetamide CAS Name: 8-acetamido-2-ethyl-N-hydroxy-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 8-acetamido-2-ethyl-N-hydroxy-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: N-[2-ethyl-7-(hydroxycarbamoyl)-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl]acetamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)C(=C(C=C2C3=CC=CC=C3)C(=O)NO)NC(=O)C

Isomeric SMILES

CCN1CCC2=C(C1)C(=C(C=C2C3=CC=CC=C3)C(=O)NO)NC(=O)C

InChI

InChI=1S/C20H23N3O3/c1-3-23-10-9-15-16(14-7-5-4-6-8-14)11-17(20(25)22-26)19(18(15)12-23)21-13(2)24/h4-8,11,26H,3,9-10,12H2,1-2H3,(H,21,24)(H,22,25)